Mol:FL3FGANS0010
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 26 28 0 0 0 0 0 0 0 0999 V2000 -2.8240 -1.6094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5028 -1.0530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8240 -0.4967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4664 -0.4967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7876 -1.0531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4664 -1.6094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7875 0.0596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4299 0.0596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7511 -0.4968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4299 -1.0531 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5371 0.4933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3932 -0.4967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7205 0.0702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3752 0.0702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7025 -0.4967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3752 -1.0638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7205 -1.0637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5029 0.0594 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.3570 -0.4968 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.7696 0.2177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8239 -2.3238 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8238 -3.3238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9936 -1.9666 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8215 -2.5275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0143 -1.5824 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2966 -0.8071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 6 1 2 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 7 11 2 0 0 0 0 9 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 17 12 1 0 0 0 0 3 18 1 0 0 0 0 15 19 1 0 0 0 0 19 20 1 0 0 0 0 1 21 1 0 0 0 0 21 22 1 0 0 0 0 6 23 1 0 0 0 0 23 24 1 0 0 0 0 2 25 1 0 0 0 0 25 26 1 0 0 0 0 M STY 1 4 SUP M SLB 1 4 4 M SAL 4 2 25 26 M SBL 4 1 27 M SMT 4 OCH3 M SVB 4 27 -2.9555 -0.3996 M STY 1 3 SUP M SLB 1 3 3 M SAL 3 2 23 24 M SBL 3 1 25 M SMT 3 OCH3 M SVB 3 25 -1.4067 1.0455 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 21 22 M SBL 2 1 23 M SMT 2 OCH3 M SVB 2 23 -2.5983 0.77 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 19 20 M SBL 1 1 21 M SMT 1 OCH3 M SVB 1 21 2.241 1.4543 S SKP 8 ID FL3FGANS0010 KNApSAcK_ID C00003883 NAME Gardenin B;Demethyltangeretin;5-Hydroxy-6,7,8-trimethoxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one CAS_RN 2798-20-1 FORMULA C19H18O7 EXACTMASS 358.10525293 AVERAGEMASS 358.34202000000005 SMILES c(C(O2)=CC(c(c3O)c2c(c(c3OC)OC)OC)=O)(c1)ccc(OC)c1 M END
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